2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C22H27N3O6S2 — CID 4845327

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-17(26)18-9-11-20(12-10-18)32(28,29)24(2)16-22(27)23-19-7-6-8-21(15-19)33(30,31)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,23,27)
InChIKeyDKHSQZCFYOOGBR-UHFFFAOYSA-N
MW493.61 g/mol
LogP2.32
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4845327) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4845327
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-17(26)18-9-11-20(12-10-18)32(28,29)24(2)16-22(27)23-19-7-6-8-21(15-19)33(30,31)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,23,27)
InChIKeyDKHSQZCFYOOGBR-UHFFFAOYSA-N
XLogP2.32
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8692183
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30601405
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4786767

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4845327) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DKHSQZCFYOOGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-17(26)18-9-11-20(12-10-18)32(28,29)24(2)16-22(27)23-19-7-6-8-21(15-19)33(30,31)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,23,27).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 493.61 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).